2-(2,2,2-trifluoroethyl)xanthen-9-one

C15H9F3O2 — CID 155571799

IUPAC2-(2,2,2-trifluoroethyl)xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(CC(F)(F)F)cc12
InChIInChI=1S/C15H9F3O2/c16-15(17,18)8-9-5-6-13-11(7-9)14(19)10-3-1-2-4-12(10)20-13/h1-7H,8H2
InChIKeyQHGODWBIFOMBTR-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.05
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)xanthen-9-one

2-(2,2,2-trifluoroethyl)xanthen-9-one (PubChem CID 155571799) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)xanthen-9-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)xanthen-9-one
PubChem CID155571799
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Name2-(2,2,2-trifluoroethyl)xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(CC(F)(F)F)cc12
InChIInChI=1S/C15H9F3O2/c16-15(17,18)8-9-5-6-13-11(7-9)14(19)10-3-1-2-4-12(10)20-13/h1-7H,8H2
InChIKeyQHGODWBIFOMBTR-UHFFFAOYSA-N
XLogP4.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)xanthen-9-one?
The IUPAC name of 2-(2,2,2-trifluoroethyl)xanthen-9-one (CID 155571799) is 2-(2,2,2-trifluoroethyl)xanthen-9-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)xanthen-9-one?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)xanthen-9-one is O=c1c2ccccc2oc2ccc(CC(F)(F)F)cc12.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)xanthen-9-one?
The InChIKey is QHGODWBIFOMBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O2/c16-15(17,18)8-9-5-6-13-11(7-9)14(19)10-3-1-2-4-12(10)20-13/h1-7H,8H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)xanthen-9-one?
2-(2,2,2-trifluoroethyl)xanthen-9-one has a molecular weight of 278.23 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)xanthen-9-one is sourced from PubChem (CID 155571799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).